ethyl 5-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-[4-(p-tolylsulfonyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(4-tosylpiperazino)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C21H24N4O4S2/c1-4-29-21(26)18-15(3)17-19(22-13-23-20(17)30-18)24-9-11-25(12-10-24)31(27,28)16-7-5-14(2)6-8-16/h5-8,13H,4,9-12H2,1-3H3